1. Acronyms

The following acronyms are often used in the source code and the documentation.

These acronyms will often occur in lower case due to coding conventions. When a class represents just one of these terms, longer names may be used for the sake of clarity. Unit conversion constants are not abbreviated.

  • AP1roG – Antisymmetric Product of 1-reference orbital Geminal

  • CC – Coupled Cluster

  • DM – Density Matrix

  • EOM – Equation of Motion

  • RHF – Restricted Hartree Fock

  • KIN – Kinetic Energy

  • LCC – Linearized Coupled Cluster

  • LF – Linear Algebra Factory, i.e. class that bundles a set of related linear algebra routines

  • MP2 – Moller-Plesset perturbation theory of second order

  • NA – Nuclear Attraction

  • OLP – Overlap

  • pCCD – pair Coupled Cluster Doubles

  • RDM – Reduced Density Matrix

  • UHF – Unrestricted Hartree Fock